Information card for entry 8100543

Structure parameters

• Common name: methylammonium guanidinium bis(nitrilotriacetato) zirconate 1.5 hydrate
• Formula: C14 H27 N6 O13.5 Zr
• Calculated formula: C14 H27 N6 O13.5 Zr
• SMILES: [Zr]123456([N](CC(=O)O3)(CC(=O)O2)CC(=O)O1)[N](CC(=O)O5)(CC(=O)O6)CC(=O)O4.NC(=[NH2+])N.[NH3+]C.O.O
• Title of publication: Crystal structure of methylammonium guanidinium bis(nitrilotriacetato) zirconate hydrate, (CH~3~NH~3~)[C(NH~2~)~3~]Zr[N(CH~2~COO)~3~]~2 ~ · 1.5H~2~O
• Authors of publication: Haussühl, Eiken; Giester, G.; Tillmanns, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 71 - 73
• a: 19.169 ± 0.004 Å
• b: 11.351 ± 0.002 Å
• c: 10.642 ± 0.002 Å
• α: 90°
• β: 103.44 ± 0.03°
• γ: 90°
• Cell volume: 2252 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No